(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone

C9H11NO3 — CID 63105467

IUPAC(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC(O)C1
InChIInChI=1S/C9H11NO3/c1-6-8(2-3-13-6)9(12)10-4-7(11)5-10/h2-3,7,11H,4-5H2,1H3
InChIKeyQFACIRBCCAVXKD-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.40
Rot. Bonds1

About (3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone

(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone (PubChem CID 63105467) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
PubChem CID63105467
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC(O)C1
InChIInChI=1S/C9H11NO3/c1-6-8(2-3-13-6)9(12)10-4-7(11)5-10/h2-3,7,11H,4-5H2,1H3
InChIKeyQFACIRBCCAVXKD-UHFFFAOYSA-N
XLogP0.40
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
(2R,4R)-4-hydroxy-1-(2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30055184
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(2-methylfuran-3-yl)methanone
CID 113412127
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
2,2-dimethyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021630
2-(2-methylfuran-3-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 131672798
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652
methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate
CID 99859108
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
CID 131196683
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 120744855

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone (CID 63105467) is (3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CC(O)C1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone?
The InChIKey is QFACIRBCCAVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-8(2-3-13-6)9(12)10-4-7(11)5-10/h2-3,7,11H,4-5H2,1H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone?
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone has a molecular weight of 181.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 63105467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).